(Q105120482)

English

[(4S,4aR,5S,8aR,9aR)-9a-acetyloxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] acetate

chemical compound

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default for all languages

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No description defined

Statements

type of chemical entity

0 references

(9a-acetyloxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

350.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4S,4aR,5S,8aR,9aS)-9a-acetyloxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₆

0 references

canonical SMILES

O=C1OC2(OC(=O)C)C(=C1C)C(OC(=O)C)C3(C)C(C)CCCC3C2

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isomeric SMILES

CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@H]2CCC[C@H](C)[C@@]12C

0 references

Petasites japonicus

1 reference

Eremophilenolides from petasites japonicus

Identifiers

InChI=1S/C19H26O6/c1-10-7-6-8-14-9-19(24-13(4)21)15(11(2)17(22)25-19)16(18(10,14)5)23-12(3)20/h10,14,16H,6-9H2,1-5H3/t10-,14+,16+,18+,19+/m0/s1

0 references

IUCVWQKXCCLBGN-HWPRLVPFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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